(1s 2 2s 2 2p 5 3p 1 ) 3 P S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.850680 | .51976867 |
| 2 | 3p | 2.696074 | -1.14814319 |
| 3 | 4p | 7.638779 | -.07586121 |
| 4 | 2p | 11.708718 | .04072582 |
| 5 | 5p | 20.024842 | .00179236 |
| 6 | 5p | 2.270563 | .01687377 |
| 7 | 4p | 54.889619 | -.00000689 |
| 8 | 4p | 1.850689 | -.01522576 |
| 9 | 3p | 1.128643 | .00123901 |
| ORB.ENERGY,a.u. | -3.506700 | ||
| NORM | 1.000000 | < R > | 1.383420 | < R2 > | 2.187639 | < 1/R > | .972555 | < 1/R**2 > | 2.048564 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.308611 | 1.21521460 |
| 2 | 3p | 6.198639 | -.29247824 |
| 3 | 2p | 12.125373 | .07406312 |
| 4 | 4p | 14.682761 | .01212812 |
| 5 | 5p | 4.069716 | .00099093 |
| 6 | 5p | 84.112516 | .00001445 |
| ORB.ENERGY,a.u. | -11.059000 | ||
| NORM | 1.000000 | < R > | .421031 | < R2 > | .218498 | < 1/R > | 3.065373 | < 1/R**2 > | 13.013129 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.903439 | .38028747 |
| 2 | 2s | 6.643034 | -.83642576 |
| 3 | 3s | 5.958414 | -.30315819 |
| 4 | 4s | 17.985415 | .00484734 |
| 5 | 3s | 19.444973 | .00699793 |
| 6 | 5s | 34.388539 | .00042736 |
| 7 | 5s | 5.110137 | -.00706140 |
| 8 | 4s | 3.680028 | .00239344 |
| 9 | 3s | 2.494756 | -.00076854 |
| 10 | 2s | 66.951208 | .00001668 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .463852 | < R2 > | .254137 | < 1/R > | 3.151891 | < 1/R**2 > | 40.753669 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.176619 | .92292956 |
| 2 | 1s | 22.280872 | .07328920 |
| 3 | 2s | 9.517843 | .02055259 |
| 4 | 3s | 11.802381 | -.02095091 |
| 5 | 4s | 14.549829 | .01066000 |
| 6 | 5s | 38.382943 | .00071607 |
| 7 | 4s | 85.381882 | -.00003840 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097030 | < R2 > | .012647 | < 1/R > | 15.578525 | < 1/R**2 > | 489.393530 |
Total Energy= -380.80772904 a.u.
Kinetic Energy= 380.78857248 a.u.
Potential Energy= -761.59630153 a.u.
Virial Ratio = -2.00005031